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Errata: Relativistic Ab-Initio Calculations of the Properties of Ionic Solids


Book ID
123646002
Publisher
The Royal Society
Year
1995
Tongue
English
Weight
96 KB
Volume
352
Category
Article
ISSN
0264-3952

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Ab initio structure calculations of hydr
✍ M. Farizon; B. Farizon-Mazuy; N.V. de Castro Faria; H. Chermette πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 518 KB

Ab initio molecular electronic-structure theory has been used in an attempt to characterize the low-lying stationary points on the potential energy hypersurface of positive ionic hydrogen clusters. Using triple-zeta-plus-polarization hasis sets, self-consistentfield Hartree-Fock calculations, confmr